4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine

C46H30N4O2 — CID 166801226

IUPAC4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine
SMILESC/C=C\c1c(N)oc2cccc(-c3cccc4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)ccc34)c12
InChIInChI=1S/C46H30N4O2/c1-2-10-36-41-34(16-8-20-40(41)52-43(36)47)33-15-7-13-29-26-31(23-24-32(29)33)45-48-44(30-22-21-27-11-3-4-12-28(27)25-30)49-46(50-45)37-17-9-19-39-42(37)35-14-5-6-18-38(35)51-39/h2-26H,47H2,1H3/b10-2-
InChIKeyZUILEYYPGNXHBJ-SGAXSIHGSA-N
MW670.77 g/mol
LogP12.11
Rot. Bonds5

About 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine

4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine (PubChem CID 166801226) has the molecular formula C46H30N4O2 and a molecular weight of 670.77 g/mol. Its IUPAC name is 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine.

Molecular Properties

Compound Name4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine
PubChem CID166801226
Molecular FormulaC46H30N4O2
Molecular Weight670.77 g/mol
Exact Mass670.24
IUPAC Name4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine
SMILESC/C=C\c1c(N)oc2cccc(-c3cccc4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)ccc34)c12
InChIInChI=1S/C46H30N4O2/c1-2-10-36-41-34(16-8-20-40(41)52-43(36)47)33-15-7-13-29-26-31(23-24-32(29)33)45-48-44(30-22-21-27-11-3-4-12-28(27)25-30)49-46(50-45)37-17-9-19-39-42(37)35-14-5-6-18-38(35)51-39/h2-26H,47H2,1H3/b10-2-
InChIKeyZUILEYYPGNXHBJ-SGAXSIHGSA-N
XLogP12.11
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.77
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine with MolForge

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Related Compounds

2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 171607648
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737131
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine
CID 170017177
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617093
2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164952293
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176616874
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 166742467
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine?
The IUPAC name of 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine (CID 166801226) is 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine.
What is the SMILES notation for 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine?
The canonical SMILES for 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine is C/C=C\c1c(N)oc2cccc(-c3cccc4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6cccc7oc8ccccc8c67)n5)ccc34)c12.
What is the InChIKey of 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine?
The InChIKey is ZUILEYYPGNXHBJ-SGAXSIHGSA-N. The full InChI is InChI=1S/C46H30N4O2/c1-2-10-36-41-34(16-8-20-40(41)52-43(36)47)33-15-7-13-29-26-31(23-24-32(29)33)45-48-44(30-22-21-27-11-3-4-12-28(27)25-30)49-46(50-45)37-17-9-19-39-42(37)35-14-5-6-18-38(35)51-39/h2-26H,47H2,1H3/b10-2-.
What are the key properties of 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine?
4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine has a molecular weight of 670.77 g/mol, XLogP of 12.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-[(Z)-prop-1-enyl]-1-benzofuran-2-amine is sourced from PubChem (CID 166801226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).